Information card for entry 1505036

Structure parameters

• Chemical name: (OC-6-33)-Diamminebis(3-carboxypropanoato)dichloroplatinum(IV) diethyl ether solvate
• Formula: C12 H26 Cl2 N2 O9 Pt
• Calculated formula: C12 H26 Cl2 N2 O9 Pt
• SMILES: [Pt](Cl)(Cl)(OC(=O)CCC(=O)O)(OC(=O)CCC(=O)O)([NH3])[NH3].O(CC)CC
• Title of publication: Novel di- and tetracarboxylatoplatinum(IV) complexes. Synthesis, characterization, cytotoxic activity, and DNA platination.
• Authors of publication: Reithofer, Michael R.; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Egger, Alexander; Galanski, Markus; Keppler, Bernhard K.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2007
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 6692 - 6699
• a: 23.5231 ± 0.001 Å
• b: 10.6395 ± 0.0004 Å
• c: 8.1822 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No